2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide

C19H21N5O2 — CID 11660333

IUPAC2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide
SMILESCc1cc(C)n(-c2ccc(=O)n(CC(=O)NCCc3ccccc3)n2)n1
InChIInChI=1S/C19H21N5O2/c1-14-12-15(2)24(21-14)17-8-9-19(26)23(22-17)13-18(25)20-11-10-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,20,25)
InChIKeyNOAZVORNQDJHOQ-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.40
Rot. Bonds6

About 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide

2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide (PubChem CID 11660333) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide
PubChem CID11660333
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide
SMILESCc1cc(C)n(-c2ccc(=O)n(CC(=O)NCCc3ccccc3)n2)n1
InChIInChI=1S/C19H21N5O2/c1-14-12-15(2)24(21-14)17-8-9-19(26)23(22-17)13-18(25)20-11-10-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,20,25)
InChIKeyNOAZVORNQDJHOQ-UHFFFAOYSA-N
XLogP1.40
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide (CID 11660333) is 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide is Cc1cc(C)n(-c2ccc(=O)n(CC(=O)NCCc3ccccc3)n2)n1.
What is the InChIKey of 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is NOAZVORNQDJHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-14-12-15(2)24(21-14)17-8-9-19(26)23(22-17)13-18(25)20-11-10-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,20,25).
What are the key properties of 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide?
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 351.41 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 11660333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).